2R45


EDO: 1,2-ETHANEDIOL

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Best-fitted instance in this entry
Other instances in this entry
IdentifierRanking for goodness of fit Ranking for geometry Real space R factor Real space correlation coefficient RMSZ-bond-length RMSZ-bond-angleOutliers of bond length Outliers of bond angle Atomic clashesStereochemical errorsModel completenessAverage occupancy
2R45_EDO_A_1962 86% 82% 0.112 0.980.76 0.06 - -20100%1
2R45_EDO_B_905 77% 53% 0.135 0.9760.55 1.23 - -00100%1
2R45_EDO_B_907 70% 77% 0.137 0.9560.58 0.35 - -10100%1
2R45_EDO_A_1960 68% 79% 0.117 0.9290.65 0.22 - -20100%1
2R45_EDO_A_1957 61% 71% 0.161 0.950.43 0.69 - -20100%1
2R45_EDO_A_7067 60% 76% 0.125 0.9110.89 0.09 - -10100%1
2R45_EDO_A_1959 59% 52% 0.141 0.9231.1 0.76 - -10100%1
2R45_EDO_B_906 55% 59% 0.151 0.9210.83 0.74 - -00100%1
2R45_EDO_B_908 55% 59% 0.167 0.9350.95 0.64 - -00100%1
2R45_EDO_B_909 49% 83% 0.18 0.9290.54 0.25 - -10100%1
2R45_EDO_B_911 42% 78% 0.17 0.8890.7 0.2 - -00100%1
2R45_EDO_A_1961 23% 69% 0.316 0.9390.4 0.8 - -20100%1
2R45_EDO_B_7067 15% 62% 0.214 0.7720.74 0.71 - -20100%1
2R45_EDO_A_1963 11% 62% 0.22 0.7360.85 0.63 - -00100%1
2R45_EDO_B_910 2% 61% 0.272 0.571 1.11 0.39 - -10100%1